Current Computer-Aided Drug Design
Volume 17, 7 Issues, 2021
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access
Contents
Current Computer-Aided Drug Design, Volume 11 - Number 3
Meet Our Editorial Board Member:
, 11(3): 195 - 196Alexandru T. Balaban
DOI: 10.2174/157340991103151124190437
Editorial
Editorial: Big Data and New Drug Discovery: Tackling “Big Data” for Virtual Screening of Large Compound Databases
, 11(3): 197 - 201Subhash C. Basak, Marjan Vracko and Apurba K. Bhattacharjee
DOI: 10.2174/157340991103151124190920
Analysis of Drug Design for a Selection of G Protein-Coupled Neuro- Receptors Using Neural Network Techniques
, 11(3): 202 - 211Claus Agerskov, Rasmus M. Mortensen and Henrik G. Bohr
DOI: 10.2174/1573409911666151014114325
Interaction studies of Withania somnifera’s key metabolite Withaferin A with different receptors associated with cardiovascular disease
, 11(3): 212 - 221Rekha Ravindran, Nitika Sharma, Sujata Roy, Ashoke R. Thakur, Subhadra Ganesh, Sriram Kumar, Jamuna Devi and Johanna Rajkumar
DOI: 10.2174/1573409912666151106115848
Ligand and Structure Based Models for the Identification of Beta 2 Adrenergic Receptor Antagonists
, 11(3): 222 - 236Jayadev Joshi, Manali Dimri, Subhajit Ghosh, Nitisha Shrivastava, Rina Chakraborti, Neeta Sehgal, Jharna Ray and Indracanti Prem Kumar
DOI: 10.2174/1573409911666150812130420
Comparison of performance of docking, LIE, metadynamics and QSAR in predicting binding affinity of benzenesulfonamides
, 11(3): 237 - 244Vytautas Raškevičius and Visvaldas Kairys
DOI: 10.2174/1573409911666150916092624
Combined 3D-QSAR and molecular docking study for identification of diverse natural products as potent Pf ENR inhibitors
, 11(3): 245 - 257Preeti Wadhwa, Debasmita Saha and Anuj Sharma
DOI: 10.2174/1573409911666151030102113
Molecular Modeling Investigation of Folic Acid Conjugation to MDM2 Inhibitors for Enhanced Cellular Uptake and Target Binding
, 11(3): 258 - 265Sachin P. Patil, Cassidy R. Kerezsi, Bridget M. Hicks and Alexandra H. Jednorski
DOI: 10.2174/1573409911666150812141216
FERN Ethnomedicinal Plant Database: Exploring fern ethnomedicinal plants knowledge for computational drug discovery
, 11(3): 266 - 271Sambhaji B. Thakar, Pradnya N. Ghorpade, Manisha V. Kale and Kailas D. Sonawane
DOI: 10.2174/1573409911666151103114738
Rational Design and Optimization of Trypsin Inhibitory Peptides with Antibacterial Activity
, 11(3): 272 - 278Xiaoqin Liu, Zhengling Wang, Jingming Cui and Wenli Su
DOI: 10.2174/1573409911666151103113741
Editor-in-Chief
Subhash C. Basak
Department of Chemistry & Biochemistry
University of Minnesota Duluth
Duluth, MN
(USA)
Biography
Department of Chemistry & Biochemistry
University of Minnesota Duluth
Duluth, MN
Biography
Biography of Subhash C. Basak
Dr. Subhash C. Basak, a Senior Scientist and Adjunct Professor at the University of Minnesota Duluth, has more than 40 years of experience in mathematical /computational chemistry and computer aided drug design. His research areas include: Development of novel topological Indices; hierarchical quantitative structure-activity relationship (HiQSAR); quantitative molecular similarity analysis (QMSA); tailored QMSA; descriptors of DNA/ RNA sequences; mathematical proteomics; chirality indices of chemicals; differential QSAR; mathematical nanotoxicoproteomics. He holds a PhD in Biochemistry from the University of Calcutta. Dr. Basak has published 268 research articles and has co-edited two books: 1) Advances in Mathematical Chemistry and Applications (Elsevier & Bentham) and 2) Statistical and Machine Learning Approaches for Network Analysis (Wiley). He is a member of the International Academy of Mathematical Chemistry.
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Journal History
Current Computer-Aided Drug Design was introduced in 2005 and Dr. Subhash C. Basak is acting as an Editor-in-Chief since 2012.
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